5-[3-[2-(phenylmethylsulfanyl)ethylamino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[2-(phenylmethylsulfanyl)ethylamino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(2-benzylsulfanylethylamino)propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(phenylmethylthio)ethylamino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(2-benzylsulfanylethylamino)propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[2-(benzylthio)ethylamino]propyl]-2-thenoic acid Formula: C17H21NO2S2 MolecularWeight: 335.48414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNCCCC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCNCCCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C17H21NO2S2/c19-17(20)16-9-8-15(22-16)7-4-10-18-11-12-21-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,18H,4,7,10-13H2,(H,19,20)